4-chloro-N-[(E)-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]benzamide

C20H15ClN4O2S — CID 162655753

IUPAC4-chloro-N-[(E)-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]benzamide
SMILESCOc1ccc(-c2nc3sccn3c2/C=N/NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H15ClN4O2S/c1-27-16-8-4-13(5-9-16)18-17(25-10-11-28-20(25)23-18)12-22-24-19(26)14-2-6-15(21)7-3-14/h2-12H,1H3,(H,24,26)/b22-12+
InChIKeyLJTQUCSAMKNJHQ-WSDLNYQXSA-N
MW410.89 g/mol
LogP4.49
Rot. Bonds5

About 4-chloro-N-[(E)-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]benzamide

4-chloro-N-[(E)-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]benzamide (PubChem CID 162655753) has the molecular formula C20H15ClN4O2S and a molecular weight of 410.89 g/mol. Its IUPAC name is 4-chloro-N-[(E)-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(E)-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]benzamide
PubChem CID162655753
Molecular FormulaC20H15ClN4O2S
Molecular Weight410.89 g/mol
Exact Mass410.06
IUPAC Name4-chloro-N-[(E)-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]benzamide
SMILESCOc1ccc(-c2nc3sccn3c2/C=N/NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H15ClN4O2S/c1-27-16-8-4-13(5-9-16)18-17(25-10-11-28-20(25)23-18)12-22-24-19(26)14-2-6-15(21)7-3-14/h2-12H,1H3,(H,24,26)/b22-12+
InChIKeyLJTQUCSAMKNJHQ-WSDLNYQXSA-N
XLogP4.49
TPSA67.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.89
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(E)-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]benzamide?
The IUPAC name of 4-chloro-N-[(E)-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]benzamide (CID 162655753) is 4-chloro-N-[(E)-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]benzamide.
What is the SMILES notation for 4-chloro-N-[(E)-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]benzamide?
The canonical SMILES for 4-chloro-N-[(E)-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]benzamide is COc1ccc(-c2nc3sccn3c2/C=N/NC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-[(E)-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]benzamide?
The InChIKey is LJTQUCSAMKNJHQ-WSDLNYQXSA-N. The full InChI is InChI=1S/C20H15ClN4O2S/c1-27-16-8-4-13(5-9-16)18-17(25-10-11-28-20(25)23-18)12-22-24-19(26)14-2-6-15(21)7-3-14/h2-12H,1H3,(H,24,26)/b22-12+.
What are the key properties of 4-chloro-N-[(E)-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]benzamide?
4-chloro-N-[(E)-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]benzamide has a molecular weight of 410.89 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(E)-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]benzamide is sourced from PubChem (CID 162655753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).